| 金纳米线嵌入碳纳米管压缩行为的分子动力学模拟 |
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| 引用本文： | 李云芳,李辉,孙丰伟,高芳.金纳米线嵌入碳纳米管压缩行为的分子动力学模拟[J].广东化工,2009,36(10):23-25. |
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| 作者姓名： | 李云芳 李辉 孙丰伟 高芳 |
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| 作者单位： | 1. 中国海洋大学,信息科学与工程学院,物理系,山东,青岛,266100
2. 中国海洋大学,信息科学与工程学院,物理系,山东,青岛,266100;山东大学,材料科学与工程 |
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| 摘 要： | 利用分子动力学方法对金纳米线嵌入碳纳米管（AuNW@CNT）复合结构的压缩变形行为进行了模拟研究。模拟结果说明，金纳米线的加入使碳纳米管的稳定性增强。没有缺陷的结构在最大承受载荷上要比有空位缺陷的结构大，而且，缺陷越大，材料的最大承受载荷越小。随着压缩速率的增大，AuNw@CNT（12，12）复合结构的临界应变和最大压缩轴向力都变大。
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| 关 键 词： | 分子动力学模拟 力学性质 纳米复合结构 金纳米线 |
Molecular Dynamic Simulations of Compressing Behavior of an Aurum Nanowire Encapsulated in a Carbon Nanotube |
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| Li Yunfang,Li Hui,Sun Fengwei,Gao Fang.Molecular Dynamic Simulations of Compressing Behavior of an Aurum Nanowire Encapsulated in a Carbon Nanotube[J].Guangdong Chemical Industry,2009,36(10):23-25. |
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| Authors: | Li Yunfang Li Hui Sun Fengwei Gao Fang |
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| Affiliation: | Li Yunfang1,Li Hui1,2,Sun Fengwei1,Gao Fang1(1.Physics Department,College of Information Science & Engineering,Ocean University of China,Qingdao 266100,2.Key Laboratory for Liquid Structure and Heredity of Materials,School of Material Science & Engineering,Shandong University,Jinan 250061,China) |
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| Abstract: | Molecular dynamic simulations were performed to study the deformation behavior of nanocomposite structure formed by the insertion of an aurum nanowire into a carbon nanotube(AuNW@CNT) under compression.The simulation results indicated that insertion of the AuNW into CNT made the stability of CNT increase.The maxmium critical load of perfect compound strucrure was larger than the structures with vacancies, and the larger the vacancies, the smaller of the maxmium critical load.As the compressing rate increase... |
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| Keywords: | molecular dynamics simulation mechanical properties nanocomposite aurum nanowire |
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